[2-(3-fluorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid

C19H21FN2O2 — CID 121411237

IUPAC[2-(3-fluorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid
SMILESCN1CCC[C@H]1CN(C(=O)O)c1ccccc1-c1cccc(F)c1
InChIInChI=1S/C19H21FN2O2/c1-21-11-5-8-16(21)13-22(19(23)24)18-10-3-2-9-17(18)14-6-4-7-15(20)12-14/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,23,24)/t16-/m0/s1
InChIKeyLKIXHFBWRQTSFM-INIZCTEOSA-N
MW328.39 g/mol
LogP4.07
Rot. Bonds4

About [2-(3-fluorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid

[2-(3-fluorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid (PubChem CID 121411237) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is [2-(3-fluorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid.

Molecular Properties

Compound Name[2-(3-fluorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid
PubChem CID121411237
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name[2-(3-fluorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid
SMILESCN1CCC[C@H]1CN(C(=O)O)c1ccccc1-c1cccc(F)c1
InChIInChI=1S/C19H21FN2O2/c1-21-11-5-8-16(21)13-22(19(23)24)18-10-3-2-9-17(18)14-6-4-7-15(20)12-14/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,23,24)/t16-/m0/s1
InChIKeyLKIXHFBWRQTSFM-INIZCTEOSA-N
XLogP4.07
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid?
The IUPAC name of [2-(3-fluorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid (CID 121411237) is [2-(3-fluorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid.
What is the SMILES notation for [2-(3-fluorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid?
The canonical SMILES for [2-(3-fluorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid is CN1CCC[C@H]1CN(C(=O)O)c1ccccc1-c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid?
The InChIKey is LKIXHFBWRQTSFM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-21-11-5-8-16(21)13-22(19(23)24)18-10-3-2-9-17(18)14-6-4-7-15(20)12-14/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,23,24)/t16-/m0/s1.
What are the key properties of [2-(3-fluorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid?
[2-(3-fluorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid has a molecular weight of 328.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)phenyl]-[[(2S)-1-methylpyrrolidin-2-yl]methyl]carbamic acid is sourced from PubChem (CID 121411237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).